7-(4-azanyl-1-benzothiophen-3-yl)-1-cyclopropyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(4-azanyl-1-benzothiophen-3-yl)-1-cyclopropyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(4-aminobenzothiophen-3-yl)-1-cyclopropyl-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(4-amino-1-benzothiophen-3-yl)-1-cyclopropyl-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(4-amino-1-benzothiophen-3-yl)-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(4-aminobenzothiophen-3-yl)-1-cyclopropyl-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)C4=CSC5=CC=CC(=C54)N

Isomeric SMILES

COC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)C4=CSC5=CC=CC(=C54)N

InChI

InChI=1S/C22H18N2O4S/c1-28-21-12(15-10-29-17-4-2-3-16(23)18(15)17)7-8-13-19(21)24(11-5-6-11)9-14(20(13)25)22(26)27/h2-4,7-11H,5-6,23H2,1H3,(H,26,27)